Phosphoric acid, monodecyl monooctyl ester
Basic information
- CAS
61792-40-3- Standard SMILES
CCCCCCCCCCOP(=O)(O)OCCCCCCCC- InChIKey
RHDXLWRMKPYIFH-UHFFFAOYSA-N- Molecular formula
- C18H39O4P
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.25859672
Names & identifiers
- Preferred name
- Phosphoric acid, monodecyl monooctyl ester
- IUPAC
- decyl octyl hydrogen phosphate
- English name
- Phosphoric acid hydrogen decyl=octyl ester
- Molecular formula
- C18H39O4P
- Molecular weight
- 350.47
Names & synonyms
Phosphoric acid, monodecyl monooctyl ester61792-40-3DTXSID00886462RefChem:862713DTXCID201025786decyl octyl hydrogen phosphateSCHEMBL571570RHDXLWRMKPYIFH-UHFFFAOYSA-NNS00063387Phosphoric acid hydrogen decyl=octyl ester
Database identifiers
- CAS
61792-40-3- PubChem CID
- 112723
- DTXSID
DTXSID00886462- Nikkaji
- J429.433E
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 430 · 430.0±28.0 °C(Predicted)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
- pka
- 1.5 · 1.50±0.50(Predicted)
- EPA Substance Registry System
- Phosphoric acid, monodecyl monooctyl ester (61792-40-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, monodecyl monooctyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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